SCHEMBL30439738

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](N)CCN)[C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	2/20	0.42

▸	OPRD1	P41143	2/20	0.42

▸	BACE1	P56817	14/20	0.41

▸	BACE2	Q9Y5Z0	4/20	0.41

▸	CTSD	P07339	3/20	0.41

▸	NPY1R	P25929	1/20	0.39

▸	NPY2R	P49146	1/20	0.39

▸	NPY4R	P50391	1/20	0.39

▸	PDCD1LG2	Q9BQ51	1/20	0.37

▸	CD274	Q9NZQ7	1/20	0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL29775547	1.00	OPRM1 (0.42)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL31415887	1.00	OPRM1 (0.42)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL30439918	1.00	OPRM1 (0.42)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL31415860	1.00	OPRM1 (0.42)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL31343154	0.97	OPRM1 (0.43)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL29775623	0.97	OPRM1 (0.43)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL29775573	0.97	OPRM1 (0.43)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL34462424	0.97	OPRM1 (0.43)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL29775572	0.97	OPRM1 (0.43)	OPRM1OPRD1BACE1BACE2CTSD
SCHEMBL29775556	0.97	OPRM1 (0.43)	OPRM1OPRD1BACE1BACE2CTSD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-3556769-B1	POLYMYXIN DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF	INST MED BIOTECHNOLOGY CAMS (CN)	2023-06-14	—	—	EP	disclosed